Phase diagram of Mn8Zn3FeS16 with Orb v3 conservative inf MPA; e_above_hull: 0.020285 eV/atom; predicted_stable: True
Cell + Ionic relaxation with Orb v3 conservative inf MPA; 0.05 eV/Å threshold; final energy = -167.5169 eV; energy change = -0.2491 eV; symmetry: R3m → R3m